Magnetic structure of NdMn$_{0.8}$Fe$_{0.2}$O$_{3+δ}$; neutron powder diffraction experiment

Abstract: The magnetic structure of the mixed antiferromagnet NdMn${0.8}$Fe${0.2}$O$3$ was resolved. Neutron powder diffraction data definitively resolve the Mn-sublattice with a magnetic propagation vector ${\bf k} = (000)$ and with the magnetic structure (A$_x$, F$_y$, G$_z$) for 1.6~K~$< T < T_N (\approx 59$~K). The Nd-sublattice has a (0, f$_y$, 0) contribution in the same temperature interval. The Mn sublattice undergoes spin-reorientation transition at $T_1 \approx 13$~K while the Nd magnetic moment keep ordered abruptly increases at this temperature. Powder X-ray diffraction shows a strong magnetoelastic effect at $T_N$ but no additional structural phase transitions from 2~K to 300~K. Density functional theory calculations confirm the magnetic structure of the undoped NdMnO$_3$ as part of our analysis. Taken together, these results show the magnetic structure of Mn-sublattice in NdMn${0.8}$Fe$_{0.2}$O$_3$ is a combination of the Mn and Fe parent compounds, but the magnetic ordering of Nd sublattice spans over broader temperature interval than in case of NdMnO$_3$ and NdFeO$_3$. This result is a consequence of the fact that the Nd ions do not order independently, but via polarization from Mn/Fe sublattice.